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    CAS 18592-13-7

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    CAS 18592-13-7
    Also known as: 18592-13-7, 6-(chloromethyl)pyrimidine-2,4(1h,3h)-dione, 6-chloromethyluracil, 2,4(1h,3h)-pyrimidinedione, 6-(chloromethyl)-, 6-(chloromethyl)-1h-pyrimidine-2,4-dione, Mfcd00010095
    Molecular Formula
    C5H5ClN2O2
    Molecular Weight
    160.56  g/mol
    InChI Key
    VCFXBAPEXBTNEA-UHFFFAOYSA-N
    1 2D Structure

    CAS 18592-13-7

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    6-(chloromethyl)-1H-pyrimidine-2,4-dione
    2.1.2 InChI
    InChI=1S/C5H5ClN2O2/c6-2-3-1-4(9)8-5(10)7-3/h1H,2H2,(H2,7,8,9,10)
    2.1.3 InChI Key
    VCFXBAPEXBTNEA-UHFFFAOYSA-N
    2.1.4 Canonical SMILES
    C1=C(NC(=O)NC1=O)CCl
    2.2 Synonyms
    2.2.1 MeSH Synonyms

    1. 4-(chloromethyl)uracil

    2. 4-chloromethyluracil

    2.2.2 Depositor-Supplied Synonyms

    1. 18592-13-7

    2. 6-(chloromethyl)pyrimidine-2,4(1h,3h)-dione

    3. 6-chloromethyluracil

    4. 2,4(1h,3h)-pyrimidinedione, 6-(chloromethyl)-

    5. 6-(chloromethyl)-1h-pyrimidine-2,4-dione

    6. Mfcd00010095

    7. 6-(chloromethyl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

    8. 4-(chloromethyl)uracil

    9. 6-chloromethylpyrimidine-2,4-dione

    10. 4-chloromethyluracil

    11. Einecs 242-431-9

    12. 6-chloromethyl-uracil

    13. Schembl317706

    14. 6-(chloromethyl)uracil, 98%

    15. Schembl8551633

    16. Dtxsid4066387

    17. Amy9241

    18. Bcp12290

    19. Str05019

    20. Zinc2008825

    21. Bbl027772

    22. Stl373422

    23. Akos000117192

    24. Akos017269105

    25. Cs-w008771

    26. Sb57753

    27. 6-chloromethyl-1h-pyrimidine-2,4-dione

    28. Ac-29729

    29. Bp-21356

    30. Sy001115

    31. Db-044574

    32. C1057

    33. Ft-0621079

    34. En300-11300

    35. 592c137

    36. 6-(chloromethyl)-2,4(1h,3h)-pyrimidinedione #

    37. A812987

    2.3 Create Date
    2005-03-27
    3 Chemical and Physical Properties
    Molecular Weight 160.56 g/mol
    Molecular Formula C5H5ClN2O2
    XLogP3-0.7
    Hydrogen Bond Donor Count2
    Hydrogen Bond Acceptor Count2
    Rotatable Bond Count1
    Exact Mass160.0039551 g/mol
    Monoisotopic Mass160.0039551 g/mol
    Topological Polar Surface Area58.2 Ų
    Heavy Atom Count10
    Formal Charge0
    Complexity212
    Isotope Atom Count0
    Defined Atom Stereocenter Count0
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1
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